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Chemical ID: 6713414
Chemical ID:
6713414
Name [?]:
4,6-dimethyl-2-(4-phenylphenyl)amino-1H-pyridine-3-carbonitrile
SMILES [?]:
Cc1cc([nH+]c(c1C#N)Nc2ccc(cc2)c3ccccc3)C
InChi [?]:
InChI=1/C20H17N3/c1-14-12-15(2)22-20(19(14)13-21)23-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,22,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,23,20,19,21,18,22,13,15,12,16,3,8,2,4,17,14,11,7,6,9,5,10/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCCN+CCCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;t8;s6;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s19;d20;d17s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N3+ |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -17.6816 |
Area: | 521.774 |
Solvation: | -30.7259 |
Coulombic: | -9.68412 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 300.377 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.55 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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